5-methyl-3-nitropyridine-2-sulfonamide

C6H7N3O4S — CID 19378728

IUPAC5-methyl-3-nitropyridine-2-sulfonamide
SMILESCc1cnc(S(N)(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H7N3O4S/c1-4-2-5(9(10)11)6(8-3-4)14(7,12)13/h2-3H,1H3,(H2,7,12,13)
InChIKeyQMBQJTLVNXSKGY-UHFFFAOYSA-N
MW217.21 g/mol
LogP-0.05
Rot. Bonds2

About 5-methyl-3-nitropyridine-2-sulfonamide

5-methyl-3-nitropyridine-2-sulfonamide (PubChem CID 19378728) has the molecular formula C6H7N3O4S and a molecular weight of 217.21 g/mol. Its IUPAC name is 5-methyl-3-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-3-nitropyridine-2-sulfonamide
PubChem CID19378728
Molecular FormulaC6H7N3O4S
Molecular Weight217.21 g/mol
Exact Mass217.02
IUPAC Name5-methyl-3-nitropyridine-2-sulfonamide
SMILESCc1cnc(S(N)(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H7N3O4S/c1-4-2-5(9(10)11)6(8-3-4)14(7,12)13/h2-3H,1H3,(H2,7,12,13)
InChIKeyQMBQJTLVNXSKGY-UHFFFAOYSA-N
XLogP-0.05
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-3-nitropyridine
CID 12626468
2-(4-chlorobutan-2-ylsulfonyl)-5-methyl-3-nitropyridine
CID 66280939
2-chloro-5-methyl-3-nitropyridine
CID 139082293
(5-methyl-3-nitro-2-pyridinyl)methanamine;hydrochloride
CID 162421679
3-bromo-5-nitropyridine-2-sulfonamide
CID 79524071
4-[(5-methyl-3-nitro-2-pyridinyl)methyl]aniline
CID 167495957
3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
CID 133104372
(1S)-1-(5-methyl-3-nitro-2-pyridinyl)propan-1-amine
CID 130610698
2-chloro-5-methyl-3-nitrobenzenesulfonamide
CID 63839177
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide
CID 133087554
4-N-(5-methyl-3-nitro-2-pyridinyl)benzene-1,4-diamine
CID 66279805

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitropyridine-2-sulfonamide?
The IUPAC name of 5-methyl-3-nitropyridine-2-sulfonamide (CID 19378728) is 5-methyl-3-nitropyridine-2-sulfonamide.
What is the SMILES notation for 5-methyl-3-nitropyridine-2-sulfonamide?
The canonical SMILES for 5-methyl-3-nitropyridine-2-sulfonamide is Cc1cnc(S(N)(=O)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitropyridine-2-sulfonamide?
The InChIKey is QMBQJTLVNXSKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4S/c1-4-2-5(9(10)11)6(8-3-4)14(7,12)13/h2-3H,1H3,(H2,7,12,13).
What are the key properties of 5-methyl-3-nitropyridine-2-sulfonamide?
5-methyl-3-nitropyridine-2-sulfonamide has a molecular weight of 217.21 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitropyridine-2-sulfonamide is sourced from PubChem (CID 19378728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).